element(s):
['Co', 'Cr']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7391']
model name:
MEAM_LAMMPS_ChoiKimSeol_2017_CoCr__MO_410167849923_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Cr']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7391, 0, 0], [0, 3.7391, 0], [0, 0, 3.7391]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:41:52      -16.389077         1.830978
BFGS:    1 12:41:52      -16.526640         1.672550
BFGS:    2 12:41:52      -16.752187         1.324461
BFGS:    3 12:41:52      -16.920722         0.911207
BFGS:    4 12:41:52      -17.021920         0.425341
BFGS:    5 12:41:52      -17.046220         0.066036
BFGS:    6 12:41:52      -17.046767         0.003814
BFGS:    7 12:41:53      -17.046769         0.000031
BFGS:    8 12:41:53      -17.046769         0.000000
BFGS:    9 12:41:53      -17.046769         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.43167299559422e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Cr']
basis =  [[9.66774977e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.5387126388411674, 7.843575511788039e-33, 1.9053422303075143e-33], [3.8597509750574635e-33, 3.5387126388411674, 4.367307837883361e-18], [-1.3255451880607189e-33, 4.367307837883369e-18, 3.5387126388411674]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.43167300e-15  5.43167300e-15  5.43167300e-15  1.36108892e-31
 -8.20254495e-34 -9.28716118e-51]
energy per atom =  -4.261692327301108
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0